[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C20H13NO5S2 MolecularWeight: 411.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

InChI

InChI=1S/C20H13NO5S2/c22-18(21-11-5-6-13-14(7-11)26-10-25-13)9-24-20(23)17-8-16-19(28-17)12-3-1-2-4-15(12)27-16/h1-8H,9-10H2,(H,21,22)